Turkish Computational and Theoretical Chemistry » Volume: 5 Issue: 2

Research Article

Research Article

1. The theoretical study of anticancer rhodium complexes and methyl groups effect on ligands in chemical reactivity, global descriptors, ADMET by DFT study

Mohammad Jahidul Islam Ajoy Kumer Md Wahab Khan

Page : 1-13

Research Article

2. Structural Analysis of Some Pyrrolopyrimidine Derivatives and Examining their Binding Affinity against Cyclooxygenase-2 Enzyme

Kun Harismah Mahmoud Mırzaeı Kimia Ghafarı

Page : 14-23

Research Article

3. DFT/TDDFT studies of the structural, electronic, NBO and non-linear optical proper-ties of triphenylamine functionalized tetrathiafulvalene

Mohammed Bouachrıne Ahmed Azaıd Tayeb Abram Rchid Kacimi Marzouk Raftanı Abdelouahid Sbai Tahar Lakhlıfı

Page : 24-34

Research Article

4. Methyl-mercaptane adsorption and sensing on Fe-/Co-graphene structures: A DFT study

Numan Yuksel Ahmet Kose Mehmet Ferdi Fellah

Page : 35-45

Research Article

5. Study of dipolar 1.3 cycloaddition reaction by DFT method, as well as study of antibacterial activity of two isomers 1.4 and 1.5 on two therapeutic targets E. coli and Helicobacter pylori, by molecular docking

Mohammed Aziz Ajana Abdessadak Oumayma Halima Hajjı Yassıne Koubı Tahar Lakhlıfı Mohammed Bouachrıne

Page : 46-55

Archive

Journal Full Title: Turkish Computational and Theoretical Chemistry

Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)